7 results found Sort:

cp2k
cp2k cp2k
368
794
gpl-2.0
41
Quantum chemistry and solid state physics software package
hpc simulation material-science quantum-chemistry
Created 2018-10-02
21,694 commits to master branch, last one 19 hours ago
rouyang2017
SISSO rouyang2017
74
224
apache-2.0
6
A data-driven method combining symbolic regression and compressed sensing for accurate & interpretable models.
machine-learning material-science big-data-analytics compressed-sensing symbolic-regression
Created 2017-10-16
166 commits to master branch, last one 9 months ago
kjappelbaum
gptchem kjappelbaum
39
218
mit
9
This repository has no description...
ai ml lift gpt-3 chemistry hacktoberfest material-science language-interfaced-fine-tuning
Created 2023-01-06
147 commits to main branch, last one 8 months ago
boschresearch
pylife boschresearch
24
131
apache-2.0
12
a general library for fatigue and reliability
fatigue lifetime material education engineering reliability material-science mechanical-engineering
Created 2019-11-21
1,181 commits to develop branch, last one 5 months ago
dftfeDevelopers
dftfe dftfeDevelopers
35
110
other
14
DFT-FE: Real-space DFT calculations using Finite Elements
hip cuda cplusplus finite-elements material-science density-functional-theory high-performance-computing
Created 2018-07-04
5,532 commits to publicGithubDevelop branch, last one 2 days ago
mushroomfire
mdapy mushroomfire
5
51
bsd-3-clause
3
A simple and fast python library to handle the data generated from molecular dynamics simulations
taichi material-science molecular-dynamics
Created 2022-08-30
770 commits to master branch, last one 7 days ago
CompRhys
aviary CompRhys
10
44
mit
2
The Wren sits on its Roost in the Aviary.
wren roost machine-learning material-science materials-discovery
Created 2021-09-28
613 commits to main branch, last one 14 hours ago